2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]

C33H34 — CID 163286896

IUPAC2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]
SMILESCC(C)(C)C1(C(C)(C)C)C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H34/c1-30(2,3)32(31(4,5)6)20-19-25-24-15-9-12-18-28(24)33(29(25)21-32)26-16-10-7-13-22(26)23-14-8-11-17-27(23)33/h7-20H,21H2,1-6H3
InChIKeyWFNGHPOAXPKCPI-UHFFFAOYSA-N
MW430.64 g/mol
LogP8.81
Rot. Bonds

About 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]

2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene] (PubChem CID 163286896) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene].

Molecular Properties

Compound Name2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]
PubChem CID163286896
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]
SMILESCC(C)(C)C1(C(C)(C)C)C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H34/c1-30(2,3)32(31(4,5)6)20-19-25-24-15-9-12-18-28(24)33(29(25)21-32)26-16-10-7-13-22(26)23-14-8-11-17-27(23)33/h7-20H,21H2,1-6H3
InChIKeyWFNGHPOAXPKCPI-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 156896533
CID 145464381
CID 145464381
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline
CID 167231705
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
9,9'-spirobi[fluorene]-2',2',7',7'-tetramine
CID 142714030
ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]?
The IUPAC name of 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene] (CID 163286896) is 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene].
What is the SMILES notation for 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]?
The canonical SMILES for 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene] is CC(C)(C)C1(C(C)(C)C)C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]?
The InChIKey is WFNGHPOAXPKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34/c1-30(2,3)32(31(4,5)6)20-19-25-24-15-9-12-18-28(24)33(29(25)21-32)26-16-10-7-13-22(26)23-14-8-11-17-27(23)33/h7-20H,21H2,1-6H3.
What are the key properties of 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]?
2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene] has a molecular weight of 430.64 g/mol, XLogP of 8.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene] is sourced from PubChem (CID 163286896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).